CID 5271244

95936-40-6

Structural Information

Molecular Formula

C₈H₁₃N₃O₃

SMILES

CC1=C(N=CN1COCCO)C(=O)N

InChI

InChI=1S/C8H13N3O3/c1-6-7(8(9)13)10-4-11(6)5-14-3-2-12/h4,12H,2-3,5H2,1H3,(H2,9,13)

InChIKey

JOFZCYGJJKMVNS-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)-5-methylimidazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 199.09569 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.10297	142.3
[M+Na]+	222.08491	150.3
[M-H]-	198.08841	141.9
[M+NH4]+	217.12951	159.6
[M+K]+	238.05885	148.8
[M+H-H2O]+	182.09295	135.1
[M+HCOO]-	244.09389	164.0
[M+CH3COO]-	258.10954	183.9
[M+Na-2H]-	220.07036	144.9
[M]+	199.09514	143.6
[M]-	199.09624	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.